(1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one

C10H8N2O — CID 70082870

IUPAC(1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one
SMILESO=c1cccc2n1/C=C\C=N/C=C\2
InChIInChI=1S/C10H8N2O/c13-10-4-1-3-9-5-7-11-6-2-8-12(9)10/h1-8H/b7-5-,8-2-,11-6-
InChIKeyYYFWZOCPJXTWIJ-ULLHFRDYSA-N
MW172.19 g/mol
LogP1.37
Rot. Bonds

About (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one

(1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one (PubChem CID 70082870) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one.

Molecular Properties

Compound Name(1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one
PubChem CID70082870
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name(1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one
SMILESO=c1cccc2n1/C=C\C=N/C=C\2
InChIInChI=1S/C10H8N2O/c13-10-4-1-3-9-5-7-11-6-2-8-12(9)10/h1-8H/b7-5-,8-2-,11-6-
InChIKeyYYFWZOCPJXTWIJ-ULLHFRDYSA-N
XLogP1.37
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one?
The IUPAC name of (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one (CID 70082870) is (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one.
What is the SMILES notation for (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one?
The canonical SMILES for (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one is O=c1cccc2n1/C=C\C=N/C=C\2.
What is the InChIKey of (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one?
The InChIKey is YYFWZOCPJXTWIJ-ULLHFRDYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-10-4-1-3-9-5-7-11-6-2-8-12(9)10/h1-8H/b7-5-,8-2-,11-6-.
What are the key properties of (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one?
(1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one has a molecular weight of 172.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one is sourced from PubChem (CID 70082870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).